FDP

2,6-di-O-phosphono-beta-D-fructofuranose

Created: 1999-07-08
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count4
Bond Count34
Aromatic Bond Count0
2D diagram of FDP
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Chemical Component Summary

Name2,6-di-O-phosphono-beta-D-fructofuranose
SynonymsFRUCTOSE-2,6-DIPHOSPHATE; 2,6-di-O-phosphono-beta-D-fructose; 2,6-di-O-phosphono-D-fructose; 2,6-di-O-phosphono-fructose
Systematic Name (OpenEye OEToolkits)[(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate
FormulaC6 H14 O12 P2
Molecular Weight340.116
TypeD-SACCHARIDE, BETA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(OC1(OC(C(O)C1O)COP(=O)(O)O)CO)(O)O
SMILESCACTVS3.341OC[C]1(O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O)O[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 OC[C@]1(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O)O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
InChIKeyInChI1.03 YXWOAJXNVLXPMU-ZXXMMSQZSA-N

Related Resource References

Resource NameReference
PubChem 105021
ChEBI CHEBI:28602